2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride

C14H19ClO4S — CID 65163326

IUPAC2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
SMILESCc1cc(OCCC2CCCO2)cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C14H19ClO4S/c1-10-8-13(9-11(2)14(10)20(15,16)17)19-7-5-12-4-3-6-18-12/h8-9,12H,3-7H2,1-2H3
InChIKeyKOKOGNYKRLZQAX-UHFFFAOYSA-N
MW318.82 g/mol
LogP3.18
Rot. Bonds5

About 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride

2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 65163326) has the molecular formula C14H19ClO4S and a molecular weight of 318.82 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
PubChem CID65163326
Molecular FormulaC14H19ClO4S
Molecular Weight318.82 g/mol
Exact Mass318.07
IUPAC Name2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
SMILESCc1cc(OCCC2CCCO2)cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C14H19ClO4S/c1-10-8-13(9-11(2)14(10)20(15,16)17)19-7-5-12-4-3-6-18-12/h8-9,12H,3-7H2,1-2H3
InChIKeyKOKOGNYKRLZQAX-UHFFFAOYSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[3-(oxolan-2-yl)propoxy]benzenesulfonyl chloride
CID 65163378
2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
CID 65163699
3,5-dimethyl-4-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
CID 60725349
trifluoro-[2-methyl-4-[2-(oxolan-2-yl)ethoxy]phenyl]boranuide
CID 83140518
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide
CID 65162551
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511
3-bromo-5-[2-(oxolan-2-yl)ethoxy]aniline
CID 103588138
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
CID 65159099
5-bromo-3-methyl-2-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
CID 63217137
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
5-chloro-6-[2-(oxolan-2-yl)ethoxy]pyridine-3-sulfonamide
CID 67126797

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride (CID 65163326) is 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride is Cc1cc(OCCC2CCCO2)cc(C)c1S(=O)(=O)Cl.
What is the InChIKey of 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is KOKOGNYKRLZQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO4S/c1-10-8-13(9-11(2)14(10)20(15,16)17)19-7-5-12-4-3-6-18-12/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride?
2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 318.82 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 65163326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).